Deriphat 106C

C₁₈H₃₄NNaO₄CAS 14960-06-6351.46 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₈H₃₄NNaO₄
Molar mass: 351.46 g/mol
Exact mass: 351.2386 Da
logP: 3.78Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 17

Identifiers

CAS number

14960-06-6

SMILES

CCCCCCCCCCCCN(CCC([O-])=O)CCC(=O)O.[Na+]

InChIKey

KRFRTHYSHLHKTK-UHFFFAOYSA-N

InChI

InChI=1S/C18H35NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

β-Alanine, N-(2-carboxyethyl)-N-dodecyl-, sodium salt (1:1)
Propionic acid, 3,3′-(dodecylimino)di-, monosodium salt
β-Alanine, N-(2-carboxyethyl)-N-dodecyl-, monosodium salt
Tensan VS

Work with Deriphat 106C

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium N-lauryl-β-iminodipropionate3655-00-381 % similar Sodium caprate1002-62-656 % similar Sodium octanoate1984-06-156 % similar Sodium palmitate408-35-556 % similar Sodium laurate629-25-456 % similar Sodium myristate822-12-856 % similar Sodium stearate822-16-256 % similar Sodium hexanoate10051-44-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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